1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide

C4H5F6NO2S — CID 89110505

IUPAC1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide
SMILESCC(C(F)(F)F)(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H5F6NO2S/c1-2(3(5,6)7,4(8,9)10)14(11,12)13/h1H3,(H2,11,12,13)
InChIKeyIFABUMRWBNOOFX-UHFFFAOYSA-N
MW245.14 g/mol
LogP1.16
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide

1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide (PubChem CID 89110505) has the molecular formula C4H5F6NO2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide
PubChem CID89110505
Molecular FormulaC4H5F6NO2S
Molecular Weight245.14 g/mol
Exact Mass244.99
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide
SMILESCC(C(F)(F)F)(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H5F6NO2S/c1-2(3(5,6)7,4(8,9)10)14(11,12)13/h1H3,(H2,11,12,13)
InChIKeyIFABUMRWBNOOFX-UHFFFAOYSA-N
XLogP1.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Difluoroethane-1-sulfonamide
CID 57536606
1-(Difluoromethyl)cyclopropanesulfonamide
CID 68182898
3,3,3-Trifluoro-2-(trifluoromethyl)propane-1-sulfonamide
CID 103311336
Lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide
CID 20665110
1,1,2,2-Tetrafluorobutane-1-sulfonate
CID 20734473
1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)butane-1-sulfonamide
CID 57983880
N-(1,1-difluoroethylsulfonyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 57983884
1,1,2,2-tetrafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)propane-1-sulfonamide
CID 57983888
1,1,2,2-tetrafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57983894
1,1,2,2,3,3-hexafluoro-N-(trifluoromethylsulfonyl)butane-1-sulfonamide
CID 57983895
1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2-tetrafluoropropylsulfonyl)propane-1-sulfonamide
CID 57983896
N-(1,1-difluoroethylsulfonyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 57983898

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide (CID 89110505) is 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide is CC(C(F)(F)F)(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide?
The InChIKey is IFABUMRWBNOOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO2S/c1-2(3(5,6)7,4(8,9)10)14(11,12)13/h1H3,(H2,11,12,13).
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide?
1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide has a molecular weight of 245.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 89110505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).